Geometry & MOs

Info

ID:	86040
PubChem CID:	49881205
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-20.66
Dipole, Da:	3.69
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-2-[[4-ethyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3C)SCC(=O)N(C)CC4=CC=CC=C4

DOS

IR

Vibrations